5-Hydroxypiperidine-2-carboxylic acid - ≥95% , CAS No.13096-31-6

CAS: 13096-31-6 Cat. No.: H586949 Peso molecular: 145.16 Número EC: 868-044-0

GRADE & PURITY ≥95%

Synonyms

2-Piperidinecarboxylic acid, 5-hydroxy- | 5-Hydroxypipecolic acid | MFCD19217172 | 0U5R8QIF9U | racemic (2R*,5S*)-5-hydroxypiperidine-2-carboxylic acid | SCHEMBL497510 | SY098400 | SY232837 | SB41273 | F30864 | 5-hydroxy piperidine-2-carboxylic acid | L-t

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2-Piperidinecarboxylic acid, 5-hydroxy- | 5-Hydroxypipecolic acid | MFCD19217172 | 0U5R8QIF9U | racemic (2R*, 5S*)-5-hydroxypiperidine-2-carboxylic acid | SCHEMBL497510 | SY098400 | SY232837 | SB41273 | F30864 | 5-hydroxy piperidine-2-carboxylic acid | L-t

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CC(NCC1O)C(=O)O
• IUPAC Name: 5-hydroxypiperidine-2-carboxylic acid
• InChIKey: RKEYKDXXZCICFZ-UHFFFAOYSA-N
• INCHI: 1S/C6H11NO3/c8-4-1-2-5(6(9)10)7-3-4/h4-5,7-8H,1-3H2,(H,9,10)
• Isómeros SMILES: C1CC(NCC1O)C(=O)O
• Peso molecular: 145.16
• Reaxy-Rn: 81661
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=81661&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Piperidinecarboxylic acids Secondary alcohols Amino acids 1,2-aminoalcohols Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid - Piperidinecarboxylic acid - Piperidine - 1,2-aminoalcohol - Amino acid - Secondary alcohol - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Amine - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• External Descriptors: piperidinemonocarboxylic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 145.160 g/mol
• XLogP3: -3.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 145.074 Da
• Monoisotopic Mass: 145.074 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 137.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1